tert-butyl 4-[7-methoxy-6-(2-oxidanylidenepropoxy)quinazolin-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[7-methoxy-6-(2-oxidanylidenepropoxy)quinazolin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(6-acetonyloxy-7-methoxy-quinazolin-4-yl)piperazine-1-carboxylate CAS Name: 4-[7-methoxy-6-(2-oxopropoxy)-4-quinazolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-methoxy-6-(2-oxopropoxy)quinazolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-(6-acetonyloxy-7-methoxy-quinazolin-4-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)OC(C)(C)C)OC

Isomeric SMILES

CC(=O)COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C21H28N4O5/c1-14(26)12-29-18-10-15-16(11-17(18)28-5)22-13-23-19(15)24-6-8-25(9-7-24)20(27)30-21(2,3)4/h10-11,13H,6-9,12H2,1-5H3